SCHEMBL6935699

SCHEMBL6935699

CS(=O)(=O)Oc1ccco1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 2/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
ALDH1A1 P00352 5/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 1/20 0.31
HPGD P15428 3/20 0.31
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 1/20 0.30
JAK2 O60674 1/20 0.30
STAT3 P40763 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11066364 0.82 MMP1 (0.37) TP53MMP1MMP9MMP12ALDH1A1
SCHEMBL188762 0.78 MMP1 (0.35) TP53MMP1MMP9MMP12ALDH1A1
SCHEMBL10992653 0.78 MMP1 (0.39) TP53MMP1MMP9MMP12ALDH1A1
Water SCHEMBL19138791 0.77 MMP1 (0.38) MMP1MMP9MMP12ALDH1A1POLB
SCHEMBL6937163 0.75 MMP1 (0.33) CA2TP53MMP1MMP9MMP12
Water SCHEMBL19138830 0.74 MMP1 (0.33) MMP1MMP9MMP12ALDH1A1POLB
Water SCHEMBL19138860 0.74 MMP1 (0.33) MMP1MMP9MMP12ALDH1A1POLB
Water SCHEMBL19138790 0.74 MMP1 (0.36) MMP1MMP9MMP12ALDH1A1POLB
SCHEMBL6940864 0.74 POLB (0.45) CA12CA2ALDH1A1POLBMAPT
Guanidine SCHEMBL28785879 0.71 MMP1 (0.34) MMP1MMP9MMP12POLBCES2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-6448472-B1 MODULATING THE RESISTANCE PATHWAYS OF CELLS IN ORDER TO EITHER CONFER OR OVERCOME RESISTANCE TO HORMONES, DRUGS, HERBICIDES ETC.; VIA MODULATION OF EXTRA-CELLULAR PHOSPHATASE (ECTO-PHOSPHATASE) AND ABC (ATP-BINDING CASSETTE) TRANSPORTER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-09-10 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
US-6365776-B1 FROM ORGANOHALOGEN COMPOUND AND AMINE USING PALLADIUM COMPOUND CATALYST AND PROMOTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 US disclosed
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT CA12 4037/4885CA2 3856/4885TP53 2243/4885
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 CA12 4431/4885CA2 3780/4885TP53 4028/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.